Vitas-M small molecule compound
(E)-(4-butoxy-2-methylphenyl)[2-(3-ethoxy-4-hydroxyphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene]methanolate
Catalog ID
STK562757
SMILES CCCCOc1ccc(c(c1)C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)Cc1ccc[nH+]c1)/[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H32N2O6 MW 516.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O6/c1-4-6-14-38-22-10-11-23(19(3)15-22)28(34)26-27(21-9-12-24(33)25(16-21)37-5-2)32(30(36)29(26)35)18-20-8-7-13-31-17-20/h7-13,15-17,27,33-34H,4-6,14,18H2,1-3H3/b28-26+InChIKey
KGZUZIWUEQDAJB-BYCLXTJYSA-NSynonyms
488109-22-4(4E)4((4BUTOXY2METHYLPHENYL)HYDROXYMETHYLIDENE)5(3ETHOXY4HYDROXYPHENYL)1(PYRIDIN3YLMETHYL)PYRROLIDINE23DIONE
(E)(4BUTOXY2METHYLPHENYL)(2(3ETHOXY4HYDROXYPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)METHANOLATE
(E)(4butoxy2methylphenyl)(2(3ethoxy4hydroxyphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)methanolate
488109224
CCCCOC1=CC(=C(C=C1)C(=C2C(N(C(=O)C2=O)CC3=C(NH+)=CC=C3)C4=CC(=C(C=C4)O)OCC)(O))C
CCCCOc1ccc(c(c1)C)C(=C1C(=O)C(=O)N(C1c1ccc(c(c1)OCC)O)Cc1ccc(nH+)c1)(O)
InChI=1SC30H32N2O6c146143822101123(19(3)1522)28(34)2627(2191224(33)25(1621)3752)32(30(36)29(26)35)18208713311720h7131517273334H461418H213H3b2826+
MFCD18244119
ZINC000102515241
ZINC000102515249
Check stock
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Check stock on Vitas-MAvailable files
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